Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Argon charged,Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 31 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488180541 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488180541 |
| Canonical Smiles | CC1=CC=C(C=C1)C=O |
| IUPAC Name | 4-methylbenzaldehyde |
| InChIKey | FXLOVSHXALFLKQ-UHFFFAOYSA-N |
| INCHI | 1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3 |
| Isomeric SMILES | CC1=CC=C(C=C1)C=O |
| WGK Germany | 1 |
| RTECS | CU7034500 |
| UN Number | 1988 |
| Molecular Weight | 120.15 |
| Beilstein | 385772 |
| Reaxy-Rn | 385772 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=385772&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoyl derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoyl derivatives |
| Alternative Parents | Benzaldehydes Toluenes Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzoyl - Benzaldehyde - Aryl-aldehyde - Toluene - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-). |
| External Descriptors | an aryl aldehyde |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Mar 10, 2026 | M105910 | |
| Certificate of Analysis | Jul 02, 2025 | M105910 | |
| Certificate of Analysis | May 10, 2025 | M105910 | |
| Certificate of Analysis | May 10, 2025 | M105910 | |
| Certificate of Analysis | Sep 10, 2024 | M105910 | |
| Certificate of Analysis | Mar 21, 2024 | M105910 | |
| Certificate of Analysis | Feb 13, 2023 | M105910 | |
| Certificate of Analysis | Feb 13, 2023 | M105910 | |
| Certificate of Analysis | Feb 13, 2023 | M105910 | |
| Certificate of Analysis | Sep 01, 2022 | M105910 | |
| Certificate of Analysis | Sep 01, 2022 | M105910 | |
| Certificate of Analysis | May 24, 2021 | M105910 | |
| Certificate of Analysis | May 24, 2021 | M105910 | |
| Certificate of Analysis | May 24, 2021 | M105910 | |
| Certificate of Analysis | May 24, 2021 | M105910 | |
| Certificate of Analysis | May 24, 2021 | M105910 |
| Solubility | Slightly soluble in water, easily soluble in alcohol and ether. |
|---|---|
| Sensitivity | Air Sensitive |
| Refractive Index | 1.542-1.548 |
| Flash Point(°F) | 161.6 °F |
| Flash Point(°C) | 80℃ |
| Boil Point(°C) | 204-205°C |
| Melt Point(°C) | -6°C |
| Molecular Weight | 120.150 g/mol |
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 120.058 Da |
| Monoisotopic Mass | 120.058 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 90.700 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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| 2. Hu Tian, Yuanyuan Zhang, Lin Liu, Jinjuan Xing, Xiaojun Wang. (2023) Assessment of anti-corrosion behavior of three triazolyl Schiff bases in 3.5 wt% NaCl Solution: Experimental and theoretical approaches. Materials Today Communications, [PMID:] [10.1016/j.mtcomm.2023.106937] |
| 3. Guichuan Xu, Huicai Zheng, Xiaoju Zhang, Wen Li, Limei Zhou, Li Qin. (2023) BCN materials with adjustable active sites as heterogeneous acid–base catalysts for Knoevenagel condensation reaction. Molecular Catalysis, [PMID:] [10.1016/j.mcat.2023.113447] |
| 4. Zhiyue Zhao, Zhiwei Jiang, Yizhe Huang, Mebrouka Boubeche, Valentina G. Matveeva, Hector F. Garces, Huixia Luo, Kai Yan. (2023) Facile synthesis of CoSi alloy catalysts with rich vacancies for base- and solvent-free aerobic oxidation of aromatic alcohols. CHINESE JOURNAL OF CATALYSIS, [PMID:] [10.1016/S1872-2067(23)64418-3] |
| 5. Ruixue Yangcheng, Yuntong Cui, Shuang Luo, Jiansu Ran, Jianjian Wang. (2023) Hierarchical pore-trapped and hydrogen-bonded phosphoric acid in Pd-supported zeolite for the efficient aqueous hydrodeoxygenation of lignin derivatives at ambient temperature. MICROPOROUS AND MESOPOROUS MATERIALS, [PMID:] [10.1016/j.micromeso.2023.112460] |
| 6. Xiaoqing Yuan, Ju Liu, Yanlei Wang, Xingming Jie, Jingyu Qin, Hongyan He. (2022) Ionic liquids enable highly efficient Knoevenagel reaction by dual-responsive emulsion microreactor. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2022.138941] |
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| 9. Ruixue Yangcheng, Jiansu Ran, Zhaohui Liu, Yuntong Cui, Jianjian Wang. (2022) Phosphoric acid-modified commercial kieselguhr supported palladium nanoparticles as efficient catalysts for low-temperature hydrodeoxygenation of lignin derivatives in water. GREEN CHEMISTRY, 24 (4): (1570-1577). [PMID:] [10.1039/D1GC04243B] |
| 10. Yan Chen, Zhao Mo, Xingtong Zhu, Qingxiang Xu, Zhaoli Xue, Henan Li, Hui Xu, Long Zhao. (2021) Facilitated interfacial charge separation using triphenylamine-zinc porphyrin dyad-sensitized TiO2 nanoparticles for photocatalysis. JOURNAL OF ALLOYS AND COMPOUNDS, [PMID:] [10.1016/j.jallcom.2021.161795] |
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| 12. Huiqing Luo, Na Li, Liyan Liu, Huaqiao Wang, Feng He. (2021) Synthesis of New AIEE-Active Chalcones for Imaging of Mitochondria in Living Cells and Zebrafish In Vivo. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 22 (16): (8949). [PMID:34445653] [10.3390/ijms22168949] |
| 13. Wu Bai, Zhizhi Hu, Yunhua Lu, Guoyong Xiao, Hongbin Zhao, Jianmin Zhu, Zhaobin Liu. (2021) Solubility, thermal and photoluminescence properties of triphenyl imidazole-containing polyimides. RSC Advances, 11 (38): (23802-23814). [PMID:35479826] [10.1039/D1RA02765D] |
| 14. Yang You, Min Zhi Rong, Ming Qiu Zhang. (2021) Adaptable Reversibly Interlocked Networks from Immiscible Polymers Enhanced by Hierarchy-Induced Multilevel Energy Consumption Mechanisms. MACROMOLECULES, [PMID:] [10.1021/acs.macromol.1c00289] |
| 15. Qingxiang Xu, Long Zhao, Yuhan Ma, Rui Yuan, Maosong Liu, Zhaoli Xue, Henan Li, Jianming Zhang, Xinping Qiu. (2021) Substituents and the induced partial charge effects on cobalt porphyrins catalytic oxygen reduction reactions in acidic medium. JOURNAL OF COLLOID AND INTERFACE SCIENCE, [PMID:33872883] [10.1016/j.jcis.2021.04.009] |
| 16. Long Zhao, Qingxiang Xu, Zhiwen Shao, Yan Chen, Zhaoli Xue, Henan Li, Jianming Zhang. (2020) Enhanced Oxygen Reduction Reaction Performance Using Intermolecular Forces Coupled with More Exposed Molecular Orbitals of Triphenylamine in Co-porphyrin Electrocatalysts. ACS Applied Materials & Interfaces, [PMID:32975398] [10.1021/acsami.0c11742] |
| 17. Chun Chen, Ruoyu Fan, Miaomiao Han, Xiaoguang Zhu, Yunxia Zhang, Haimin Zhang, Huijun Zhao, Guozhong Wang. (2020) Tunable synthesis of imines and secondary-amines from tandem hydrogenation-coupling of aromatic nitro and aldehyde over NiCo5 bi-metallic catalyst. APPLIED CATALYSIS B-ENVIRONMENTAL, [PMID:] [10.1016/j.apcatb.2020.119448] |
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| 19. Lianqing Chen, Zhongda Wu, Yanting Du, Yufeng Huang, Shiwei Jin. (2019) Solvothermal synthesis of novel phenylpyrazole Schiff base fluorescent insecticides fused extended conjugate units for enhancing bioactivities, photophysical and electrochemical properties. JOURNAL OF MOLECULAR STRUCTURE, [PMID:] [10.1016/j.molstruc.2019.06.093] |
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